N-(3,3-difluoropropyl)-5-methoxy-2,2,4,4-tetramethylpentan-1-amine

C13H27F2NO — CID 146342441

IUPACN-(3,3-difluoropropyl)-5-methoxy-2,2,4,4-tetramethylpentan-1-amine
SMILESCOCC(C)(C)CC(C)(C)CNCCC(F)F
InChIInChI=1S/C13H27F2NO/c1-12(2,8-13(3,4)10-17-5)9-16-7-6-11(14)15/h11,16H,6-10H2,1-5H3
InChIKeyIEBRSZASZOCECM-UHFFFAOYSA-N
MW251.36 g/mol
LogP3.32
Rot. Bonds9

About N-(3,3-difluoropropyl)-5-methoxy-2,2,4,4-tetramethylpentan-1-amine

N-(3,3-difluoropropyl)-5-methoxy-2,2,4,4-tetramethylpentan-1-amine (PubChem CID 146342441) has the molecular formula C13H27F2NO and a molecular weight of 251.36 g/mol. Its IUPAC name is N-(3,3-difluoropropyl)-5-methoxy-2,2,4,4-tetramethylpentan-1-amine.

Molecular Properties

Compound NameN-(3,3-difluoropropyl)-5-methoxy-2,2,4,4-tetramethylpentan-1-amine
PubChem CID146342441
Molecular FormulaC13H27F2NO
Molecular Weight251.36 g/mol
Exact Mass251.21
IUPAC NameN-(3,3-difluoropropyl)-5-methoxy-2,2,4,4-tetramethylpentan-1-amine
SMILESCOCC(C)(C)CC(C)(C)CNCCC(F)F
InChIInChI=1S/C13H27F2NO/c1-12(2,8-13(3,4)10-17-5)9-16-7-6-11(14)15/h11,16H,6-10H2,1-5H3
InChIKeyIEBRSZASZOCECM-UHFFFAOYSA-N
XLogP3.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.36
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3,3-difluoropropyl)-5-methoxy-2,2,4,4-tetramethylpentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoropropyl)-5-methoxy-2,2,4,4-tetramethylpentan-1-amine?
The IUPAC name of N-(3,3-difluoropropyl)-5-methoxy-2,2,4,4-tetramethylpentan-1-amine (CID 146342441) is N-(3,3-difluoropropyl)-5-methoxy-2,2,4,4-tetramethylpentan-1-amine.
What is the SMILES notation for N-(3,3-difluoropropyl)-5-methoxy-2,2,4,4-tetramethylpentan-1-amine?
The canonical SMILES for N-(3,3-difluoropropyl)-5-methoxy-2,2,4,4-tetramethylpentan-1-amine is COCC(C)(C)CC(C)(C)CNCCC(F)F.
What is the InChIKey of N-(3,3-difluoropropyl)-5-methoxy-2,2,4,4-tetramethylpentan-1-amine?
The InChIKey is IEBRSZASZOCECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27F2NO/c1-12(2,8-13(3,4)10-17-5)9-16-7-6-11(14)15/h11,16H,6-10H2,1-5H3.
What are the key properties of N-(3,3-difluoropropyl)-5-methoxy-2,2,4,4-tetramethylpentan-1-amine?
N-(3,3-difluoropropyl)-5-methoxy-2,2,4,4-tetramethylpentan-1-amine has a molecular weight of 251.36 g/mol, XLogP of 3.32, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoropropyl)-5-methoxy-2,2,4,4-tetramethylpentan-1-amine is sourced from PubChem (CID 146342441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).